| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:04:24 UTC |
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| Update Date | 2025-03-25 00:55:17 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02211521 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H9N3O5S |
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| Molecular Mass | 259.0263 |
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| SMILES | CC(=O)Nc1ccc([N+](=O)[O-])cc1S(N)(=O)=O |
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| InChI Key | PFHZNTWMFOMWDL-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | benzenesulfonamides |
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| Direct Parent | benzenesulfonamides |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | acetamidesacetanilidesaminosulfonyl compoundsbenzenesulfonyl compoundscarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesn-acetylarylaminesnitroaromatic compoundsnitrobenzenesorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganopnictogen compoundsorganosulfonamidespropargyl-type 1,3-dipolar organic compoundssecondary carboxylic acid amides |
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| Substituents | organosulfonic acid or derivativescarbonyl groupn-acetylarylamineallyl-type 1,3-dipolar organic compoundn-arylamideorganosulfur compoundcarboxylic acid derivativeorganic nitro compoundpropargyl-type 1,3-dipolar organic compoundorganosulfonic acid amideorganic oxidec-nitro compoundorganonitrogen compoundorganopnictogen compoundorganic oxoazaniumacetamidenitrobenzenebenzenesulfonyl groupnitroaromatic compoundbenzenesulfonamideaminosulfonyl compoundacetanilideorganic 1,3-dipolar compoundcarboxamide grouparomatic homomonocyclic compoundanilidesecondary carboxylic acid amidesulfonylorganic oxygen compoundorganic sulfonic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundorganic hyponitrite |
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